==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-DEC-09 3KYZ . COMPND 2 MOLECULE: SENSOR PROTEIN PFES; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.TAN,N.MARSHALL,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 37 A Y 0 0 137 0, 0.0 77,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -6.0 -0.2 14.4 36.3 2 38 A F - 0 0 113 75,-0.2 73,-0.1 109,-0.1 2,-0.1 -0.883 360.0-108.3-112.4 144.1 2.8 13.0 34.4 3 39 A L - 0 0 3 73,-0.4 108,-0.1 71,-0.4 5,-0.0 -0.415 44.0-103.9 -61.3 139.4 2.9 9.9 32.2 4 40 A A >> - 0 0 49 106,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.362 31.4-113.1 -60.6 146.8 4.8 7.0 33.7 5 41 A P H 3> S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.866 116.7 54.0 -52.5 -42.3 8.3 6.6 32.2 6 42 A A H 3> S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.814 108.3 50.5 -65.8 -29.4 7.5 3.3 30.6 7 43 A D H <> S+ 0 0 52 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.846 107.9 52.1 -76.0 -34.6 4.5 4.9 28.9 8 44 A R H X S+ 0 0 73 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.940 111.5 47.8 -61.4 -45.6 6.6 7.7 27.6 9 45 A H H X S+ 0 0 142 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.905 110.7 52.0 -61.1 -43.0 9.0 5.1 26.2 10 46 A Y H X S+ 0 0 89 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.929 113.2 42.2 -59.6 -49.6 6.1 3.2 24.6 11 47 A L H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 3,-0.3 0.890 111.2 56.3 -69.1 -36.8 4.6 6.2 22.8 12 48 A A H X S+ 0 0 40 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.874 101.6 57.9 -60.7 -35.6 8.1 7.3 21.8 13 49 A D H X S+ 0 0 47 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.880 100.7 56.4 -63.8 -35.5 8.6 3.9 20.1 14 50 A Y H X S+ 0 0 5 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.877 104.8 52.6 -60.9 -37.3 5.5 4.6 18.0 15 51 A A H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.881 108.1 50.6 -66.2 -37.7 7.2 7.8 16.8 16 52 A R H X S+ 0 0 103 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.928 112.6 46.5 -62.2 -45.4 10.2 5.8 15.8 17 53 A Q H X S+ 0 0 66 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.883 110.9 53.1 -63.6 -40.0 7.9 3.4 13.9 18 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 110.2 47.0 -60.5 -47.5 6.1 6.3 12.3 19 55 A E H X S+ 0 0 7 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.909 110.3 52.9 -60.5 -43.8 9.4 7.7 11.1 20 56 A D H X S+ 0 0 25 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.901 109.3 49.3 -59.9 -41.5 10.5 4.4 9.8 21 57 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.928 113.1 46.8 -64.3 -45.3 7.3 4.0 7.8 22 58 A W H X S+ 0 0 70 -4,-2.4 4,-2.4 7,-0.2 -2,-0.2 0.936 114.6 47.1 -58.8 -48.6 7.7 7.5 6.3 23 59 A R H < S+ 0 0 144 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 117.5 41.6 -62.2 -43.0 11.3 6.9 5.4 24 60 A R H < S+ 0 0 149 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.876 136.3 8.6 -74.7 -40.1 10.7 3.5 3.8 25 61 A E H >X S- 0 0 94 -4,-2.4 3,-0.8 1,-0.2 4,-0.6 0.381 85.1-148.8-130.2 3.4 7.5 4.2 1.9 26 62 A G H >X S- 0 0 21 -4,-2.4 4,-2.6 -5,-0.4 3,-0.5 -0.268 71.8 -5.8 63.8-145.9 6.8 7.9 2.0 27 63 A A H 3> S+ 0 0 43 1,-0.3 4,-2.6 2,-0.2 30,-0.6 0.860 136.4 52.3 -52.5 -44.8 3.2 9.1 1.9 28 64 A A H <> S+ 0 0 64 -3,-0.8 4,-2.1 1,-0.2 -1,-0.3 0.879 111.9 46.8 -62.0 -38.6 1.7 5.6 1.3 29 65 A G H S+ 0 0 42 -4,-2.3 5,-1.4 -5,-0.3 4,-0.8 0.908 113.2 43.9 -58.1 -43.6 -5.4 4.7 15.1 39 75 A A H <5S+ 0 0 78 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.913 113.9 50.2 -68.7 -43.1 -7.2 1.3 15.0 40 76 A K H <5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 122.1 31.0 -61.3 -46.5 -4.8 -0.3 17.5 41 77 A E H <5S- 0 0 13 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.384 100.2-130.3 -97.4 1.6 -5.1 2.4 20.1 42 78 A D T <5S+ 0 0 148 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.920 71.3 105.2 49.7 52.7 -8.6 3.5 19.3 43 79 A T S - 0 0 5 4,-2.7 3,-2.0 -2,-0.3 51,-0.2 -0.090 45.3 -74.0 -92.6-168.1 5.6 17.4 8.4 50 86 A P T 3 S+ 0 0 87 0, 0.0 50,-0.1 0, 0.0 49,-0.1 0.717 132.4 47.6 -63.9 -23.6 7.6 20.6 9.0 51 87 A H T 3 S- 0 0 155 2,-0.1 3,-0.1 3,-0.0 49,-0.0 0.233 119.6-108.4-100.5 13.3 4.7 22.8 7.7 52 88 A L S < S+ 0 0 76 -3,-2.0 2,-0.3 1,-0.3 16,-0.1 0.701 77.1 132.8 66.4 23.3 2.1 20.9 9.9 53 89 A E - 0 0 141 1,-0.1 -4,-2.7 6,-0.1 -1,-0.3 -0.674 67.9 -85.5 -95.3 157.6 0.6 19.2 6.8 54 90 A S B -B 48 0A 23 -2,-0.3 -6,-0.3 -6,-0.2 -1,-0.1 -0.356 24.6-155.5 -58.7 136.8 -0.2 15.5 6.7 55 91 A L S S+ 0 0 20 -8,-2.8 -25,-0.3 -25,-0.1 -24,-0.2 0.588 75.5 80.9 -82.2 -15.0 2.7 13.3 5.6 56 92 A G S S- 0 0 14 -9,-0.6 -28,-0.2 2,-0.3 -29,-0.1 -0.159 98.8-101.8 -81.1-178.4 0.1 10.8 4.4 57 93 A S S S+ 0 0 85 -30,-0.6 -29,-0.1 -29,-0.1 -1,-0.1 0.708 104.9 73.3 -78.6 -20.3 -1.9 10.8 1.2 58 94 A T S S- 0 0 66 -31,-0.2 -2,-0.3 1,-0.0 -1,-0.0 -0.854 83.4-134.0 -97.7 121.6 -5.0 12.1 2.9 59 95 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.279 25.0-101.1 -70.1 158.6 -4.8 15.8 3.8 60 96 A L - 0 0 26 1,-0.1 2,-0.1 4,-0.1 -6,-0.1 -0.586 32.0-128.8 -74.7 139.2 -5.8 17.1 7.2 61 97 A S > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.378 29.7-105.4 -72.3 164.7 -9.2 18.7 7.5 62 98 A A H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.891 124.7 56.8 -58.8 -38.7 -9.3 22.1 9.2 63 99 A E H 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.909 108.1 46.5 -58.4 -43.1 -10.8 20.4 12.2 64 100 A E H >4 S+ 0 0 30 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.900 107.3 56.4 -67.4 -41.1 -7.8 18.1 12.3 65 101 A S H >< S+ 0 0 51 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.860 97.8 64.1 -57.2 -34.4 -5.4 21.0 11.9 66 102 A S G >< S+ 0 0 67 -4,-1.8 3,-0.8 1,-0.3 -1,-0.3 0.727 92.7 63.3 -64.5 -19.2 -7.0 22.6 15.0 67 103 A H G < S+ 0 0 16 -3,-1.6 3,-0.3 -4,-0.4 -1,-0.3 0.590 92.8 65.8 -75.4 -12.6 -5.7 19.6 17.1 68 104 A L G < S+ 0 0 15 -3,-1.9 3,-0.3 -4,-0.3 -1,-0.2 0.421 86.6 68.2 -91.4 0.6 -2.1 20.7 16.3 69 105 A T S < S+ 0 0 88 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.652 101.1 36.3-101.7 -17.7 -2.0 24.0 18.2 70 106 A F S S+ 0 0 136 -3,-0.3 18,-0.3 -4,-0.2 -1,-0.2 -0.301 84.3 151.1-131.8 46.6 -2.3 23.2 21.9 71 107 A X - 0 0 26 -3,-0.3 2,-0.4 16,-0.1 18,-0.2 -0.191 34.8-137.4 -82.6 169.0 -0.3 19.9 22.1 72 108 A R B -c 89 0A 83 16,-2.3 18,-2.4 4,-0.1 2,-0.2 -0.962 12.1-129.6-125.0 144.6 1.8 18.4 24.9 73 109 A K > - 0 0 112 -2,-0.4 3,-2.1 16,-0.2 18,-0.1 -0.544 36.6-101.4 -85.9 162.1 5.2 16.7 24.9 74 110 A L T 3 S+ 0 0 23 16,-0.5 -71,-0.4 1,-0.3 -1,-0.1 0.751 120.0 44.8 -57.4 -30.2 5.6 13.3 26.5 75 111 A D T 3 S+ 0 0 91 -73,-0.1 -1,-0.3 -67,-0.1 3,-0.1 0.267 93.5 100.2-101.0 13.0 7.3 14.7 29.6 76 112 A W S < S- 0 0 98 -3,-2.1 -73,-0.4 1,-0.1 -4,-0.1 -0.597 87.7 -84.1 -92.5 157.6 4.9 17.5 30.2 77 113 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -75,-0.2 -0.323 48.1-148.6 -57.1 143.1 2.0 17.5 32.7 78 114 A X + 0 0 2 -77,-3.5 2,-0.3 -3,-0.1 3,-0.1 -0.954 28.6 140.8-121.0 136.0 -1.1 15.9 31.2 79 115 A S - 0 0 39 -2,-0.4 4,-0.2 6,-0.1 6,-0.1 -0.983 50.1-135.3-165.9 159.6 -4.8 16.7 32.0 80 116 A R S >>>S+ 0 0 94 -2,-0.3 4,-2.2 1,-0.1 5,-0.7 0.631 83.5 96.3 -87.1 -17.5 -8.3 17.0 30.5 81 117 A R G >45S+ 0 0 195 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.858 76.4 45.7 -35.9 -76.5 -8.8 20.2 32.5 82 118 A L G 345S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.745 132.2 15.2 -52.0 -36.0 -8.0 23.1 30.1 83 119 A Q G <45S- 0 0 100 -3,-0.6 -1,-0.3 2,-0.3 -2,-0.2 0.348 94.3-121.7-125.8 4.9 -9.9 21.9 27.1 84 120 A D T <<5S+ 0 0 141 -4,-2.2 2,-0.3 -3,-0.7 -3,-0.2 0.895 82.4 84.6 54.8 45.1 -12.2 19.1 28.3 85 121 A E S > + 0 0 92 1,-0.1 3,-2.3 4,-0.1 4,-0.5 -0.713 64.7 178.5-137.5 83.7 15.3 13.5 11.8 97 133 A P G >4 S+ 0 0 53 0, 0.0 3,-0.8 0, 0.0 -4,-0.3 0.774 80.3 66.8 -58.7 -27.4 12.9 15.7 13.9 98 134 A E G 34 S+ 0 0 119 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.655 93.9 60.1 -69.5 -13.6 13.0 18.3 11.1 99 135 A Q G <4 S- 0 0 67 -3,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.695 118.4 -70.0 -87.4 -21.5 11.2 15.9 8.8 100 136 A G << - 0 0 3 -3,-0.8 -7,-2.4 -4,-0.5 2,-0.3 -0.979 40.8-111.7 160.2-171.8 8.1 15.5 10.9 101 137 A R E -AD 48 92A 84 -53,-2.2 -53,-2.2 -2,-0.3 2,-0.5 -0.980 20.8-115.9-151.3 158.5 6.3 14.2 14.0 102 138 A L E -AD 47 91A 0 -11,-3.0 -11,-2.9 -2,-0.3 2,-0.5 -0.864 26.7-164.6 -92.9 132.6 3.8 11.7 15.3 103 139 A V E +AD 46 90A 0 -57,-3.1 -57,-2.5 -2,-0.5 2,-0.4 -0.990 12.6 173.1-115.9 128.9 0.7 13.2 16.8 104 140 A I E -AD 45 89A 0 -15,-2.1 -15,-2.8 -2,-0.5 2,-0.4 -0.995 33.7-127.7-135.4 128.6 -1.5 10.9 18.9 105 141 A Q E - D 0 88A 35 -61,-2.7 -17,-0.2 -2,-0.4 3,-0.1 -0.647 50.0 -98.8 -70.6 128.8 -4.5 11.9 21.1 106 142 A L - 0 0 0 -19,-3.1 -1,-0.1 -2,-0.4 -62,-0.1 -0.246 36.2-116.5 -55.6 125.1 -3.7 10.3 24.4 107 143 A P > - 0 0 5 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.409 24.3-121.6 -59.3 139.4 -5.4 7.0 24.9 108 144 A E G > S+ 0 0 146 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.812 108.4 61.5 -55.5 -34.7 -7.8 7.2 27.8 109 145 A R G 3 S+ 0 0 153 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.687 100.9 55.3 -67.6 -16.2 -6.2 4.4 29.8 110 146 A L G < S+ 0 0 17 -3,-2.1 -1,-0.3 2,-0.1 -106,-0.2 0.391 74.7 121.2 -99.2 1.2 -2.9 6.3 29.9 111 147 A L < 0 0 47 -3,-1.4 -109,-0.1 -4,-0.3 -32,-0.0 -0.509 360.0 360.0 -72.6 128.8 -4.1 9.6 31.5 112 148 A P 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -109,-0.1 -0.274 360.0 360.0 -51.0 360.0 -2.4 10.4 34.8